3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide

C12H25N3O2 — CID 112685288

IUPAC3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
SMILESCCCCNC(=O)CNCCC(=O)NC(C)C
InChIInChI=1S/C12H25N3O2/c1-4-5-7-14-12(17)9-13-8-6-11(16)15-10(2)3/h10,13H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyFOCPIYOIKPAHGH-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.41
Rot. Bonds9

About 3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide

3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide (PubChem CID 112685288) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
PubChem CID112685288
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
SMILESCCCCNC(=O)CNCCC(=O)NC(C)C
InChIInChI=1S/C12H25N3O2/c1-4-5-7-14-12(17)9-13-8-6-11(16)15-10(2)3/h10,13H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyFOCPIYOIKPAHGH-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-2-(pentylamino)acetamide
CID 109005932
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
N-butyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760079
N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
CID 60672606
N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586639
6-[[2-(butylamino)-2-oxoethyl]amino]-4-methylhexanoic acid
CID 65289945
2-(3-methylbutylamino)-N-pentylacetamide
CID 109005799
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
3-(2-methylpentylamino)-N-propan-2-ylpropanamide
CID 115904706
N-propan-2-yl-3-(3-propoxypropylamino)propanamide
CID 82942492
N-butyl-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 112685302
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide (CID 112685288) is 3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide is CCCCNC(=O)CNCCC(=O)NC(C)C.
What is the InChIKey of 3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is FOCPIYOIKPAHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-5-7-14-12(17)9-13-8-6-11(16)15-10(2)3/h10,13H,4-9H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide?
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 112685288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).